1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]

C14H13ClN4 — CID 167100571

IUPAC1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
SMILESClc1nccc(N2CC3(CCC3)c3ncccc32)n1
InChIInChI=1S/C14H13ClN4/c15-13-17-8-4-11(18-13)19-9-14(5-2-6-14)12-10(19)3-1-7-16-12/h1,3-4,7-8H,2,5-6,9H2
InChIKeySXHCSMAKDJGBCU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.10
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]

1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] (PubChem CID 167100571) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane].

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
PubChem CID167100571
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
SMILESClc1nccc(N2CC3(CCC3)c3ncccc32)n1
InChIInChI=1S/C14H13ClN4/c15-13-17-8-4-11(18-13)19-9-14(5-2-6-14)12-10(19)3-1-7-16-12/h1,3-4,7-8H,2,5-6,9H2
InChIKeySXHCSMAKDJGBCU-UHFFFAOYSA-N
XLogP3.10
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] (CID 167100571) is 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane].
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] is Clc1nccc(N2CC3(CCC3)c3ncccc32)n1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
The InChIKey is SXHCSMAKDJGBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-13-17-8-4-11(18-13)19-9-14(5-2-6-14)12-10(19)3-1-7-16-12/h1,3-4,7-8H,2,5-6,9H2.
What are the key properties of 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] has a molecular weight of 272.74 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] is sourced from PubChem (CID 167100571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).